1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

C22H23N3OS — CID 27041100

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C22H23N3OS/c1-17-6-5-9-20(14-17)24-10-12-25(13-11-24)21(26)15-19-16-27-22(23-19)18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3
InChIKeyNBQZFNBWOMLOQW-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.01
Rot. Bonds4

About 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 27041100) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID27041100
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C22H23N3OS/c1-17-6-5-9-20(14-17)24-10-12-25(13-11-24)21(26)15-19-16-27-22(23-19)18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3
InChIKeyNBQZFNBWOMLOQW-UHFFFAOYSA-N
XLogP4.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 27049046
[4-(3-methylphenyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 27049058
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110451007
1-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 27048907
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone
CID 30942475
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
2-methyl-1-[4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 55564528
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 39348799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (CID 27041100) is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is Cc1cccc(N2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is NBQZFNBWOMLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-17-6-5-9-20(14-17)24-10-12-25(13-11-24)21(26)15-19-16-27-22(23-19)18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 377.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 27041100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).